Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 20/20 | 0.50 |
| ▸ | CNR2 | P34972 | 5/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3567616 | 0.98 | CNR1 (0.50) | CNR1CNR2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3567617 | 0.98 | CNR1 (0.50) | CNR1CNR2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3569809 | 0.98 | CNR1 (0.50) | CNR1CNR2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3561596 | 0.81 | CNR1 (0.62) | CNR1CNR2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3568204 | 0.79 | CNR1 (0.67) | CNR1CNR2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3572792 | 0.79 | CNR1 (0.55) | CNR1CNR2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3577716 | 0.78 | CNR1 (0.60) | CNR1CNR2 | |
| SCHEMBL4960472 | 0.76 | CNR1 (0.53) | CNR1CNR2 | |
| SCHEMBL3573123 | 0.76 | CNR1 (0.53) | CNR1CNR2 | |
| SCHEMBL3573125 | 0.76 | CNR1 (0.53) | CNR1CNR2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7700634-B2 | (Indol-3-yl) heterocycle derivatives as agonists of the cannabinoid CB1 receptor | N.V. ORGANON (NL) | 2010-04-20 | — | — | US | disclosed |
| EP-1725232-B1 | (INDOL-3-YL)-HETEROCYCLE DERIVATIVES AS AGONISTS OF THE CANNABINOID CB1 RECEPTOR | ORGANON NV (NL) | 2008-01-23 | — | — | EP | disclosed |